2-methyl-2-(prop-2-enoxymethyl)oxirane

C7H12O2 — CID 11366999

IUPAC2-methyl-2-(prop-2-enoxymethyl)oxirane
SMILESC=CCOCC1(C)CO1
InChIInChI=1S/C7H12O2/c1-3-4-8-5-7(2)6-9-7/h3H,1,4-6H2,2H3
InChIKeyMIPPIHKQEJITHO-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.98
Rot. Bonds4

About 2-methyl-2-(prop-2-enoxymethyl)oxirane

2-methyl-2-(prop-2-enoxymethyl)oxirane (PubChem CID 11366999) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-methyl-2-(prop-2-enoxymethyl)oxirane.

Molecular Properties

Compound Name2-methyl-2-(prop-2-enoxymethyl)oxirane
PubChem CID11366999
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2-methyl-2-(prop-2-enoxymethyl)oxirane
SMILESC=CCOCC1(C)CO1
InChIInChI=1S/C7H12O2/c1-3-4-8-5-7(2)6-9-7/h3H,1,4-6H2,2H3
InChIKeyMIPPIHKQEJITHO-UHFFFAOYSA-N
XLogP0.98
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(prop-2-enoxymethyl)oxirane?
The IUPAC name of 2-methyl-2-(prop-2-enoxymethyl)oxirane (CID 11366999) is 2-methyl-2-(prop-2-enoxymethyl)oxirane.
What is the SMILES notation for 2-methyl-2-(prop-2-enoxymethyl)oxirane?
The canonical SMILES for 2-methyl-2-(prop-2-enoxymethyl)oxirane is C=CCOCC1(C)CO1.
What is the InChIKey of 2-methyl-2-(prop-2-enoxymethyl)oxirane?
The InChIKey is MIPPIHKQEJITHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-3-4-8-5-7(2)6-9-7/h3H,1,4-6H2,2H3.
What are the key properties of 2-methyl-2-(prop-2-enoxymethyl)oxirane?
2-methyl-2-(prop-2-enoxymethyl)oxirane has a molecular weight of 128.17 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(prop-2-enoxymethyl)oxirane is sourced from PubChem (CID 11366999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).